N-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C56H45NO — CID 118178078

IUPACN-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c5c(c(-c6ccc7c(c6)oc6ccccc67)c6c4CCCC6)CCCC5)cc3)cc2)cc1
InChIInChI=1S/C56H45NO/c1-3-13-38(14-4-1)40-23-30-44(31-24-40)57(45-32-25-41(26-33-45)39-15-5-2-6-16-39)46-34-27-42(28-35-46)55-49-18-7-9-20-51(49)56(52-21-10-8-19-50(52)55)43-29-36-48-47-17-11-12-22-53(47)58-54(48)37-43/h1-6,11-17,22-37H,7-10,18-21H2
InChIKeyLUMYPKKBUQBQOT-UHFFFAOYSA-N
MW747.98 g/mol
LogP15.48
Rot. Bonds7

About N-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 118178078) has the molecular formula C56H45NO and a molecular weight of 747.98 g/mol. Its IUPAC name is N-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID118178078
Molecular FormulaC56H45NO
Molecular Weight747.98 g/mol
Exact Mass747.35
IUPAC NameN-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c5c(c(-c6ccc7c(c6)oc6ccccc67)c6c4CCCC6)CCCC5)cc3)cc2)cc1
InChIInChI=1S/C56H45NO/c1-3-13-38(14-4-1)40-23-30-44(31-24-40)57(45-32-25-41(26-33-45)39-15-5-2-6-16-39)46-34-27-42(28-35-46)55-49-18-7-9-20-51(49)56(52-21-10-8-19-50(52)55)43-29-36-48-47-17-11-12-22-53(47)58-54(48)37-43/h1-6,11-17,22-37H,7-10,18-21H2
InChIKeyLUMYPKKBUQBQOT-UHFFFAOYSA-N
XLogP15.48
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.98
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

3-(10-bromo-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)dibenzofuran;10-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine;4-phenyl-N-(4-phenylphenyl)aniline
CID 160773579
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118186800
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 88567948
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808582
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)aniline
CID 171452184
2,3,5,6-tetradeuterio-4-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)aniline
CID 171451950
2,3,5,6-tetradeuterio-N,N-bis(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
CID 171450972
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587

Frequently Asked Questions

What is the IUPAC name of N-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 118178078) is N-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c5c(c(-c6ccc7c(c6)oc6ccccc67)c6c4CCCC6)CCCC5)cc3)cc2)cc1.
What is the InChIKey of N-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is LUMYPKKBUQBQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45NO/c1-3-13-38(14-4-1)40-23-30-44(31-24-40)57(45-32-25-41(26-33-45)39-15-5-2-6-16-39)46-34-27-42(28-35-46)55-49-18-7-9-20-51(49)56(52-21-10-8-19-50(52)55)43-29-36-48-47-17-11-12-22-53(47)58-54(48)37-43/h1-6,11-17,22-37H,7-10,18-21H2.
What are the key properties of N-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 747.98 g/mol, XLogP of 15.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 118178078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).